Vitas-M small molecule compound

2-({(2E)-2-cyano-3-[2-(propan-2-yloxy)phenyl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK949282
SMILES N#C/C(=C\c1ccccc1OC(C)C)/C(=O)Nc1sc2c(c1C(=O)N)CCCC2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C22H23N3O3S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O3S/c1-13(2)28-17-9-5-3-7-14(17)11-15(12-23)21(27)25-22-19(20(24)26)16-8-4-6-10-18(16)29-22/h3,5,7,9,11,13H,4,6,8,10H2,1-2H3,(H2,24,26)(H,25,27)/b15-11+
InChIKey
WRUNVIHBFKQMCK-RVDMUPIBSA-N
Synonyms
465513-53-5
2(((2E)2cyano3(2(propan2yloxy)phenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
2(((E)2cyano3(2propan2yloxyphenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
465513535
CC(C)OC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N
InChI=1SC22H23N3O3Sc113(2)2817953714(17)1115(1223)21(27)252219(20(24)26)168461018(16)2922h35791113H46810H212H3(H22426)(H2527)b1511+
MFCD02957109
N#CC(=Cc1ccccc1OC(C)C)C(=O)Nc1sc2c(c1C(=O)N)CCCC2
ZINC000001453205
ZINC01453205
ZINC1453205

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Available files

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